SCHEMBL1029976

SCHEMBL1029976

O=C(Nc1cccc2ccc(-c3cccc(O)c3)nc12)c1cscn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PIM1 P11309 2/20 0.43
ABL1 P00519 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAP4K4 O95819 1/20 0.39
VCP P55072 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
GSK3B P49841 1/20 0.38
KDR P35968 2/20 0.38
MAPK10 P53779 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1204671 0.89 PIM1 (0.47) MEN1KMT2APIM1ALDH1A1MAPT
SCHEMBL1034502 0.89 PIM1 (0.48) MEN1KMT2APIM1ALDH1A1MAPT
SCHEMBL1031176 0.88 NPC1 (0.47) MEN1KMT2APIM1ALDH1A1MAPT
SCHEMBL1034649 0.88 PIM1 (0.42) MEN1KMT2APIM1MAP4K4MAPK10
SCHEMBL1034277 0.87 PIM1 (0.41) MEN1KMT2APIM1ALDH1A1MAPT
SCHEMBL1031299 0.86 IRAK4 (0.52) PIM1ABL1ALDH1A1MAPTNPC1
SCHEMBL1035042 0.86 TLR7 (0.43) MEN1KMT2APIM1ALDH1A1PIK3CD
SCHEMBL1052707 0.86 GRM5 (0.44) PIM1MAPK10GRM4PRKDCATR
SCHEMBL1033979 0.86 PIM1 (0.45) MEN1KMT2APIM1ALDH1A1MAPT
SCHEMBL17772320 0.85 NPC1 (0.47) MEN1KMT2APIM1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 MEN1 2841/4885KMT2A 997/4885PIM1 4218/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.